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3-Benzoyl-4-phenyl-5,6-dihydrothiopyran

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-Benzoyl-4-phenyl-5,6-dihydrothiopyran
SpectraBase Compound ID 6YX1nP02HOo
InChI InChI=1S/C18H16OS/c19-18(15-9-5-2-6-10-15)17-13-20-12-11-16(17)14-7-3-1-4-8-14/h1-10,13,16H,11-12H2
InChIKey XTWMODFBTCHLRP-UHFFFAOYSA-N
Mol Weight 280.38 g/mol
Molecular Formula C18H16OS
Exact Mass 280.092186 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3uvrmGtguWU
Name 3-Benzoyl-4-phenyl-5,6-dihydrothiopyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.092186308 u
Formula C18H16OS
InChI InChI=1S/C18H16OS/c19-18(15-9-5-2-6-10-15)17-13-20-12-11-16(17)14-7-3-1-4-8-14/h1-10,13,16H,11-12H2
InChIKey XTWMODFBTCHLRP-UHFFFAOYSA-N
SMILES C=1(C(=O)C2=CC=CC=C2)C(C2=CC=CC=C2)CCSC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96007